#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrm n TYR 8 N 0.00 2.41 0.00 0.00 4.01 -1.26 -4.55 117.16 117.77 3jrm n TYR 8 Ca 0.00 -1.67 0.00 0.00 -0.16 0.00 0.00 57.90 56.07 3jrm n TYR 8 Cb 0.00 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 3jrm n TYR 8 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3jrm n ASP 9 N -0.74 0.21 -0.08 7.72 2.03 -1.26 -4.46 116.55 119.97 3jrm n ASP 9 Ca 0.47 -0.11 0.02 0.00 0.52 0.00 0.00 54.79 55.68 3jrm n ASP 9 Cb 1.33 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 42.00 3jrm n ASP 9 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3jrm n ARG 10 N -0.29 2.41 -3.72 -0.67 5.12 -1.26 -4.40 116.66 113.84 3jrm n ARG 10 Ca 0.00 -0.40 -0.16 0.00 -1.93 0.00 0.00 57.85 55.37 3jrm n ARG 10 Cb 0.00 -0.88 -0.16 0.00 -1.16 0.00 0.00 32.46 30.26 3jrm n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3jrm s ALA 11 N -0.77 -0.09 0.63 7.54 0.00 -1.26 -5.02 121.76 122.79 3jrm s ALA 11 Ca 0.03 0.50 0.29 0.00 0.00 0.00 0.00 51.96 52.78 3jrm s ALA 11 Cb 0.03 -0.52 1.56 0.00 0.00 0.00 0.00 23.12 24.19 3jrm s ALA 11 CO 0.09 -0.29 1.92 0.97 0.00 0.00 0.00 175.76 178.45 3jrm h ILE 12 N 6.25 0.19 -0.49 0.00 6.09 -1.93 -2.24 117.51 125.36 3jrm h ILE 12 Ca -0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3jrm h ILE 12 Cb 1.13 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3jrm h ILE 12 CO 0.33 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.76 3jrm n THR 13 N -3.29 0.65 -3.89 2.19 -2.24 -1.26 -4.69 114.28 101.74 3jrm n THR 13 Ca 0.02 -0.78 -0.36 0.00 -2.27 0.00 0.00 64.05 60.66 3jrm n THR 13 Cb 0.50 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.32 3jrm n THR 13 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3jrm s VAL 14 N -1.35 4.41 0.24 2.28 1.01 -0.85 -5.09 120.40 121.05 3jrm s VAL 14 Ca 0.41 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 3jrm s VAL 14 Cb 0.23 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 3jrm s VAL 14 CO 0.31 0.38 0.81 -0.36 0.00 0.00 0.00 175.10 176.24 3jrm s PHE 15 N 1.17 3.73 0.77 5.22 0.08 -1.26 -4.68 117.98 123.01 3jrm s PHE 15 Ca 0.04 1.58 -0.11 0.00 0.12 0.00 0.00 56.93 58.56 3jrm s PHE 15 Cb -0.14 -2.75 0.05 0.00 -0.57 0.00 0.00 43.02 39.61 3jrm s PHE 15 CO 0.03 0.35 1.08 -1.54 -0.10 0.00 0.00 175.22 175.04 3jrm s SER 16 N -1.51 4.67 0.64 1.36 1.04 -0.48 -4.88 113.70 114.53 3jrm s SER 16 Ca 0.43 1.54 0.40 0.00 0.48 0.00 0.00 55.95 58.80 3jrm s SER 16 Cb -0.19 -2.31 2.17 0.00 0.10 0.00 0.00 66.02 65.79 3jrm s SER 16 CO 0.23 -1.89 2.22 -0.65 0.98 0.00 0.00 173.24 174.14 3jrm h PRO 17 N -1.03 0.00 -0.06 4.02 0.11 -1.97 0.45 132.00 133.51 3jrm h PRO 17 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jrm h PRO 17 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jrm h PRO 17 CO 0.56 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 3jrm n ASP 18 N -2.97 1.49 -0.47 -2.05 8.00 -1.26 -4.95 116.55 114.35 3jrm n ASP 18 Ca -0.03 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.92 3jrm n ASP 18 Cb 0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3jrm n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrm n GLY 19 N 1.15 0.95 3.60 0.44 0.00 0.15 -5.07 105.19 106.40 3jrm n GLY 19 Ca 0.18 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3jrm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jrm s ARG 20 N -4.46 2.17 -0.61 1.61 0.52 -1.25 -4.87 118.95 112.06 3jrm s ARG 20 Ca 0.00 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 3jrm s ARG 20 Cb 0.00 -2.23 0.15 0.00 0.52 0.00 0.00 34.95 33.39 3jrm s ARG 20 CO 0.00 0.44 0.37 -0.51 0.02 0.00 0.00 175.30 175.63 3jrm s LEU 21 N -2.86 4.59 0.27 2.53 1.43 -1.26 -1.39 118.68 122.00 3jrm s LEU 21 Ca 0.26 -3.34 -0.03 0.00 -1.03 0.00 0.00 54.13 49.99 3jrm s LEU 21 Cb -0.09 -1.66 0.36 0.00 0.03 0.00 0.00 46.19 44.83 3jrm s LEU 21 CO 0.16 -0.18 1.84 -0.26 0.23 0.00 0.00 176.35 178.14 3jrm h PHE 22 N 6.10 0.96 -0.75 0.29 0.04 -1.83 -0.63 116.94 121.12 3jrm h PHE 22 Ca 0.01 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.79 3jrm h PHE 22 Cb 0.84 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.65 3jrm h PHE 22 CO 0.60 0.75 0.49 0.37 -0.60 0.00 0.00 178.31 179.92 3jrm h GLN 23 N 0.92 0.71 -0.45 1.51 5.75 -1.86 0.33 115.11 122.02 3jrm h GLN 23 Ca 0.21 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 3jrm h GLN 23 Cb 0.21 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3jrm h GLN 23 CO -0.02 0.47 -0.17 0.28 -2.65 0.00 0.00 178.83 176.75 3jrm h VAL 24 N 0.74 1.27 -0.05 2.39 2.07 -1.50 -1.18 116.25 119.98 3jrm h VAL 24 Ca 0.33 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 3jrm h VAL 24 Cb 0.33 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3jrm h VAL 24 CO -0.12 0.44 -0.46 -0.33 0.02 0.00 0.00 177.57 177.13 3jrm h GLU 25 N 0.76 0.12 -0.22 1.57 5.08 -0.50 -2.49 114.58 118.90 3jrm h GLU 25 Ca 0.11 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 3jrm h GLU 25 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3jrm h GLU 25 CO 0.05 0.56 -0.60 1.88 -1.00 0.00 0.00 179.01 179.91 3jrm h TYR 26 N 0.10 0.94 -1.00 4.33 0.99 -0.14 -2.75 116.97 119.44 3jrm h TYR 26 Ca 0.01 -0.35 0.17 0.00 2.00 0.00 0.00 58.73 60.55 3jrm h TYR 26 Cb 0.85 -0.17 -0.10 0.00 1.00 0.00 0.00 36.73 38.31 3jrm h TYR 26 CO 0.01 1.15 0.62 0.00 -0.00 0.00 0.00 178.16 179.94 3jrm h ALA 27 N 0.77 1.64 0.00 3.88 0.00 -0.90 -0.23 119.26 124.41 3jrm h ALA 27 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 27 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3jrm h ALA 27 CO 0.12 0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.23 3jrm h ARG 28 N 0.83 0.00 0.00 0.00 3.08 -1.15 -1.78 114.38 115.36 3jrm h ARG 28 Ca 0.55 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.50 3jrm h ARG 28 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3jrm h ARG 28 CO -0.34 0.18 -0.52 0.93 -1.07 0.00 0.00 179.97 179.15 3jrm h GLU 29 N 0.00 0.00 -1.00 0.04 4.39 -0.91 -2.85 114.58 114.25 3jrm h GLU 29 Ca -0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 3jrm h GLU 29 Cb 0.37 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 3jrm h GLU 29 CO 0.02 0.52 0.64 0.00 -1.16 0.00 0.00 179.01 179.03 3jrm h ALA 30 N 1.48 1.47 -0.25 3.43 0.00 -1.12 -2.66 119.26 121.61 3jrm h ALA 30 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3jrm h ALA 30 Cb 0.97 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3jrm h ALA 30 CO 0.07 0.33 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 3jrm h VAL 31 N 1.08 1.18 0.00 0.00 2.07 -1.52 -2.43 116.25 116.63 3jrm h VAL 31 Ca 0.46 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3jrm h VAL 31 Cb 0.32 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3jrm h VAL 31 CO -0.21 0.24 -0.03 0.11 0.02 0.00 0.00 177.57 177.70 3jrm h LYS 32 N 0.38 0.00 -0.00 1.57 1.57 -1.52 -2.42 116.57 116.15 3jrm h LYS 32 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3jrm h LYS 32 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3jrm h LYS 32 CO 0.01 0.03 -0.04 1.63 -0.57 0.00 0.00 179.45 180.51 3jrm n LYS 33 N -3.17 0.75 -2.65 3.15 5.02 -0.91 -2.92 118.16 117.43 3jrm n LYS 33 Ca -0.01 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.85 3jrm n LYS 33 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 3jrm n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3jrm s GLY 34 N -2.35 1.65 0.50 0.72 0.00 -0.91 -4.89 107.32 102.04 3jrm s GLY 34 Ca 0.34 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 3jrm s GLY 34 CO 0.44 -0.20 1.02 -1.35 0.00 0.00 0.00 173.10 173.00 3jrm s SER 35 N -3.81 6.38 0.35 1.64 1.04 -1.26 -0.62 113.70 117.42 3jrm s SER 35 Ca 0.49 1.80 -0.27 0.00 0.48 0.00 0.00 55.95 58.45 3jrm s SER 35 Cb -0.10 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.38 3jrm s SER 35 CO 0.41 -0.75 1.17 -0.89 0.98 0.00 0.00 173.24 174.16 3jrm s THR 36 N -2.23 3.21 0.04 2.02 2.01 -1.26 -4.60 115.64 114.82 3jrm s THR 36 Ca 0.64 1.10 -0.01 0.00 0.31 0.00 0.00 61.69 63.73 3jrm s THR 36 Cb -0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3jrm s THR 36 CO 0.24 0.17 -0.03 0.00 -0.69 0.00 0.00 174.62 174.32 3jrm s ALA 37 N -1.31 0.42 0.12 7.40 0.00 -0.69 -1.24 121.76 126.46 3jrm s ALA 37 Ca 0.52 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 3jrm s ALA 37 Cb -0.32 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3jrm s ALA 37 CO 0.41 -0.33 0.32 -0.48 0.00 0.00 0.00 175.76 175.69 3jrm s LEU 38 N -2.61 0.80 0.01 0.00 0.05 0.62 -1.45 118.68 116.11 3jrm s LEU 38 Ca 0.02 -0.51 -0.03 0.00 0.05 0.00 0.00 54.13 53.66 3jrm s LEU 38 Cb 0.04 1.51 -0.01 0.00 -2.05 0.00 0.00 46.19 45.68 3jrm s LEU 38 CO -0.08 -0.83 0.03 -0.83 -0.55 0.00 0.00 176.35 174.09 3jrm s GLY 39 N -2.85 0.17 -0.04 -3.48 0.00 -0.69 -0.54 107.32 99.89 3jrm s GLY 39 Ca 0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 44.72 44.27 3jrm s GLY 39 CO -0.10 -0.52 0.21 -3.16 0.00 0.00 0.00 173.10 169.54 3jrm s MET 40 N -1.42 0.40 0.31 2.90 0.23 -0.89 -1.57 119.30 119.26 3jrm s MET 40 Ca -0.15 -0.01 -0.28 0.00 -1.03 0.00 0.00 55.69 54.22 3jrm s MET 40 Cb -0.09 0.18 -0.09 0.00 -1.53 0.00 0.00 34.83 33.29 3jrm s MET 40 CO -0.00 -0.08 1.05 0.15 -2.03 0.00 0.00 175.02 174.10 3jrm s LYS 41 N -0.62 4.54 0.02 3.16 1.02 0.76 -1.41 119.74 127.20 3jrm s LYS 41 Ca -0.07 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.56 3jrm s LYS 41 Cb -0.04 -2.99 -0.00 0.00 -0.52 0.00 0.00 37.83 34.27 3jrm s LYS 41 CO 0.01 0.17 0.01 1.97 -0.92 0.00 0.00 175.35 176.60 3jrm n PHE 42 N 0.84 -0.03 -1.55 3.18 1.16 0.01 -4.62 117.46 116.46 3jrm n PHE 42 Ca 0.01 -0.14 -0.45 0.00 -1.87 0.00 0.00 57.45 55.00 3jrm n PHE 42 Cb 0.47 0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.30 3jrm n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3jrm n ALA 43 N -2.89 1.51 -2.88 1.98 0.00 -0.28 -2.09 120.51 115.86 3jrm n ALA 43 Ca -0.01 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 3jrm n ALA 43 Cb 0.03 -2.81 0.01 0.00 0.00 0.00 0.00 19.45 16.68 3jrm n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jrm n ASN 44 N 11.31 -5.42 -3.54 0.00 4.13 -1.26 -4.84 115.26 115.65 3jrm n ASN 44 Ca 0.34 -0.19 -0.01 0.00 1.68 0.00 0.00 54.58 56.40 3jrm n ASN 44 Cb 0.38 -4.44 0.02 0.00 -1.54 0.00 0.00 39.78 34.19 3jrm n ASN 44 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3jrm s GLY 45 N -2.49 0.02 -0.02 7.41 0.00 -0.89 0.03 107.32 111.39 3jrm s GLY 45 Ca 0.22 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 3jrm s GLY 45 CO 0.27 3.65 0.32 0.54 0.00 0.00 0.00 173.10 177.88 3jrm s VAL 46 N -2.11 0.05 0.12 1.40 0.11 -0.82 -0.81 120.40 118.34 3jrm s VAL 46 Ca 0.25 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3jrm s VAL 46 Cb -0.02 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3jrm s VAL 46 CO 0.03 -0.24 0.01 -1.48 -3.33 0.00 0.00 175.10 170.08 3jrm s LEU 47 N -1.26 2.11 -0.01 2.54 0.05 -0.50 -2.16 118.68 119.45 3jrm s LEU 47 Ca -0.13 -1.13 0.04 0.00 0.05 0.00 0.00 54.13 52.96 3jrm s LEU 47 Cb -0.05 0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 44.23 3jrm s LEU 47 CO 0.04 -0.63 -0.13 -0.76 -0.55 0.00 0.00 176.35 174.32 3jrm s LEU 48 N -3.05 2.03 -0.04 1.48 1.43 -0.09 -2.09 118.68 118.35 3jrm s LEU 48 Ca 0.19 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3jrm s LEU 48 Cb 0.07 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.64 3jrm s LEU 48 CO -0.01 0.16 -0.08 -0.63 0.23 0.00 0.00 176.35 176.02 3jrm s ILE 49 N -0.31 0.76 -0.09 -0.59 1.01 0.30 -1.73 121.20 120.55 3jrm s ILE 49 Ca 0.05 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3jrm s ILE 49 Cb -0.05 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.72 3jrm s ILE 49 CO -0.00 0.26 -0.12 -0.55 0.00 0.00 0.00 174.94 174.52 3jrm s SER 50 N 0.63 2.11 0.53 3.58 0.15 -0.45 -0.28 113.70 119.97 3jrm s SER 50 Ca -0.10 -0.35 -0.21 0.00 0.70 0.00 0.00 55.95 55.99 3jrm s SER 50 Cb -0.13 -0.93 -0.06 0.00 -1.71 0.00 0.00 66.02 63.19 3jrm s SER 50 CO 0.01 -0.00 1.20 -0.62 1.20 0.00 0.00 173.24 175.03 3jrm s ASP 51 N 0.99 5.67 -0.20 5.45 2.15 -0.38 -1.18 116.67 129.16 3jrm s ASP 51 Ca -0.08 2.37 0.01 0.00 0.43 0.00 0.00 52.55 55.27 3jrm s ASP 51 Cb -0.15 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 3jrm s ASP 51 CO -0.01 -1.26 -0.08 -0.54 -0.17 0.00 0.00 175.17 173.12 3jrm s LYS 52 N -3.03 1.77 -0.95 4.34 1.02 -1.26 -4.65 119.74 116.98 3jrm s LYS 52 Ca 0.71 -0.82 -0.26 0.00 0.02 0.00 0.00 55.97 55.61 3jrm s LYS 52 Cb -0.30 -2.39 -0.18 0.00 -0.52 0.00 0.00 37.83 34.44 3jrm s LYS 52 CO 0.34 -0.49 2.24 -1.59 -0.92 0.00 0.00 175.35 174.93 3jrm s LYS 53 N 1.45 1.45 0.24 1.68 -2.85 -1.26 -4.92 119.74 115.53 3jrm s LYS 53 Ca -0.02 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.62 3jrm s LYS 53 Cb -0.17 -4.90 -0.09 0.00 -2.06 0.00 0.00 37.83 30.61 3jrm s LYS 53 CO -0.07 -4.92 1.05 0.08 0.10 0.00 0.00 175.35 171.59 3jrm s VAL 54 N 15.64 3.74 0.00 1.79 1.01 -1.26 -4.95 120.40 136.37 3jrm s VAL 54 Ca 0.86 1.70 0.00 0.00 0.00 0.00 0.00 61.98 64.53 3jrm s VAL 54 Cb -0.09 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3jrm s VAL 54 CO 0.13 0.38 0.58 -2.11 0.00 0.00 0.00 175.10 174.08 3jrm n ARG 55 N 1.54 0.00 0.00 2.72 -4.01 -1.26 -5.10 116.66 110.55 3jrm n ARG 55 Ca -0.01 -0.48 0.00 0.00 -1.04 0.00 0.00 57.85 56.32 3jrm n ARG 55 Cb 0.46 -0.31 0.00 0.00 -3.04 0.00 0.00 32.46 29.57 3jrm n ARG 55 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3jrm n SER 56 N 0.00 0.00 0.10 2.89 2.88 -1.26 -4.98 113.62 113.25 3jrm n SER 56 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 3jrm n SER 56 Cb 0.57 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.47 3jrm n SER 56 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3jrm n ARG 57 N -1.36 0.21 0.13 -1.46 1.85 -1.26 -3.16 116.66 111.60 3jrm n ARG 57 Ca 0.00 0.25 0.13 0.00 -1.00 0.00 0.00 57.85 57.23 3jrm n ARG 57 Cb 0.00 -1.79 0.42 0.00 -1.05 0.00 0.00 32.46 30.05 3jrm n ARG 57 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3jrm h LEU 58 N 0.00 0.00-10.08 2.89 3.38 -2.06 -3.45 115.31 105.99 3jrm h LEU 58 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3jrm h LEU 58 Cb 0.61 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.40 3jrm h LEU 58 CO 0.00 0.00 0.40 -0.63 0.09 0.00 0.00 178.44 178.30 3jrm s ILE 59 N -3.19 3.58 -0.31 1.22 -1.09 -1.19 -5.02 121.20 115.21 3jrm s ILE 59 Ca 0.08 0.99 -0.22 0.00 -2.23 0.00 0.00 60.65 59.27 3jrm s ILE 59 Cb 0.11 -3.40 -0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3jrm s ILE 59 CO 0.54 -0.21 0.74 -1.61 -1.23 0.00 0.00 174.94 173.17 3jrm s GLU 60 N -3.24 3.93 -0.08 2.79 0.41 -1.26 -4.96 118.70 116.28 3jrm s GLU 60 Ca 0.69 0.48 -0.17 0.00 -0.41 0.00 0.00 54.97 55.57 3jrm s GLU 60 Cb -0.19 -3.73 -0.13 0.00 -1.78 0.00 0.00 34.13 28.30 3jrm s GLU 60 CO 0.22 -0.65 0.60 0.37 -0.49 0.00 0.00 175.26 175.31 3jrm h GLN 61 N 8.16 -0.13 0.00 1.61 -0.00 -1.95 -3.27 115.11 119.53 3jrm h GLN 61 Ca -0.25 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 3jrm h GLN 61 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.61 3jrm h GLN 61 CO 0.86 0.29 0.22 -2.95 0.00 0.00 0.00 178.83 177.25 3jrm h ASN 62 N -0.95 0.00 0.00 -0.69 7.08 -2.05 -3.35 115.58 115.62 3jrm h ASN 62 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 3jrm h ASN 62 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 3jrm h ASN 62 CO 0.02 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.13 3jrm n SER 63 N -2.73 0.00 -3.53 6.14 2.88 -1.23 -4.95 113.62 110.19 3jrm n SER 63 Ca -0.02 0.00 -0.50 0.00 -1.33 0.00 0.00 58.87 57.02 3jrm n SER 63 Cb 0.27 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 3jrm n SER 63 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3jrm n ILE 64 N 0.00 0.00 -3.59 2.46 -6.64 -1.25 -4.96 119.36 105.38 3jrm n ILE 64 Ca 0.00 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 60.82 3jrm n ILE 64 Cb 0.00 -0.38 -0.07 0.00 -1.44 0.00 0.00 39.64 37.75 3jrm n ILE 64 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3jrm s GLU 65 N 2.85 0.93 0.11 6.28 -1.05 -1.26 -4.93 118.70 121.62 3jrm s GLU 65 Ca 0.83 0.27 0.08 0.00 -0.15 0.00 0.00 54.97 56.00 3jrm s GLU 65 Cb -1.14 0.44 -0.21 0.00 -0.44 0.00 0.00 34.13 32.77 3jrm s GLU 65 CO 0.60 -0.26 1.22 0.87 0.95 0.00 0.00 175.26 178.63 3jrm h LYS 66 N 3.53 0.00 -6.46 -4.83 1.57 -1.93 -3.43 116.57 105.02 3jrm h LYS 66 Ca -0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.97 3jrm h LYS 66 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 66 CO 0.35 0.94 0.42 0.42 -0.57 0.00 0.00 179.45 181.00 3jrm s ILE 67 N -2.70 4.59 -0.05 1.86 1.01 -1.26 -3.97 121.20 120.67 3jrm s ILE 67 Ca 0.00 1.91 0.01 0.00 0.00 0.00 0.00 60.65 62.57 3jrm s ILE 67 Cb 0.10 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3jrm s ILE 67 CO 0.82 0.18 -0.07 -1.10 0.00 0.00 0.00 174.94 174.77 3jrm s GLN 68 N 0.82 1.09 0.17 2.79 -1.52 -0.16 -4.99 119.66 117.86 3jrm s GLN 68 Ca 0.53 -0.20 -0.30 0.00 -1.95 0.00 0.00 55.36 53.44 3jrm s GLN 68 Cb -0.24 -1.01 -0.08 0.00 -0.22 0.00 0.00 33.01 31.47 3jrm s GLN 68 CO 0.29 -0.05 1.21 -0.51 -0.25 0.00 0.00 175.29 175.98 3jrm s LEU 69 N 0.84 4.44 -0.14 2.90 1.43 -1.26 -0.83 118.68 126.05 3jrm s LEU 69 Ca -0.12 2.23 -0.05 0.00 -1.03 0.00 0.00 54.13 55.16 3jrm s LEU 69 Cb -0.15 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.22 3jrm s LEU 69 CO 0.01 -0.40 0.29 -0.38 0.23 0.00 0.00 176.35 176.10 3jrm n ILE 70 N 2.69 1.75 -2.63 -0.59 2.08 0.11 -4.91 119.36 117.86 3jrm n ILE 70 Ca 0.05 -0.65 0.00 0.00 0.56 0.00 0.00 62.75 62.71 3jrm n ILE 70 Cb 0.45 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 3jrm n ILE 70 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3jrm n ASP 71 N -3.45 0.00 0.27 4.38 3.85 -0.91 -4.72 116.55 115.96 3jrm n ASP 71 Ca -0.34 -0.06 0.16 0.00 -0.71 0.00 0.00 54.79 53.84 3jrm n ASP 71 Cb 1.04 0.00 0.58 0.00 -1.35 0.00 0.00 41.12 41.39 3jrm n ASP 71 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3jrm h ASP 72 N 0.00 0.00 -0.06 -1.12 3.32 -2.00 -3.26 116.42 113.30 3jrm h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jrm h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3jrm h ASP 72 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3jrm n TYR 73 N -3.09 0.07 -3.74 4.55 4.02 -1.26 -1.55 117.16 116.16 3jrm n TYR 73 Ca 0.01 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.90 57.66 3jrm n TYR 73 Cb 0.35 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.53 3jrm n TYR 73 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3jrm s VAL 74 N -0.72 -0.04 0.17 -0.72 1.01 -1.23 -1.69 120.40 117.17 3jrm s VAL 74 Ca 0.11 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3jrm s VAL 74 Cb 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 3jrm s VAL 74 CO 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 175.10 175.18 3jrm s ALA 75 N 1.19 1.57 0.01 5.51 0.00 -0.18 0.10 121.76 129.96 3jrm s ALA 75 Ca -0.09 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.32 3jrm s ALA 75 Cb -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3jrm s ALA 75 CO -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 175.76 175.53 3jrm s ALA 76 N -3.31 0.30 0.10 0.00 0.00 -0.01 -1.53 121.76 117.30 3jrm s ALA 76 Ca 0.19 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.85 3jrm s ALA 76 Cb 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3jrm s ALA 76 CO 0.03 -0.01 -0.16 0.14 0.00 0.00 0.00 175.76 175.76 3jrm s VAL 77 N -0.70 2.96 0.24 0.00 -7.23 -0.48 -0.98 120.40 114.20 3jrm s VAL 77 Ca -0.05 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3jrm s VAL 77 Cb -0.05 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 3jrm s VAL 77 CO -0.00 0.15 -0.09 0.42 -0.31 0.00 0.00 175.10 175.27 3jrm s THR 78 N -1.12 1.61 -0.12 5.32 -4.23 -1.25 -0.89 115.64 114.96 3jrm s THR 78 Ca 0.18 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3jrm s THR 78 Cb -0.11 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.50 3jrm s THR 78 CO 0.10 -0.42 0.31 -0.55 -0.54 0.00 0.00 174.62 173.52 3jrm s SER 79 N -3.38 -0.35 0.00 3.99 0.15 -0.50 -4.95 113.70 108.67 3jrm s SER 79 Ca 0.26 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3jrm s SER 79 Cb 0.02 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 3jrm s SER 79 CO 0.09 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3jrm n GLY 80 N 3.56 0.44 3.66 9.45 0.00 -1.26 -1.60 105.19 119.44 3jrm n GLY 80 Ca -0.19 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3jrm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jrm s LEU 81 N 0.00 4.35 0.14 0.99 1.43 -0.24 -4.74 118.68 120.60 3jrm s LEU 81 Ca 0.00 2.49 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 3jrm s LEU 81 Cb 0.00 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 3jrm s LEU 81 CO 0.00 -1.06 1.77 -0.37 0.23 0.00 0.00 176.35 176.92 3jrm h VAL 82 N 5.70 1.11 -0.47 -1.59 -1.51 -1.96 -1.63 116.25 115.90 3jrm h VAL 82 Ca -0.46 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 3jrm h VAL 82 Cb 1.22 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 3jrm h VAL 82 CO 0.95 0.11 0.23 0.00 -1.23 0.00 0.00 177.57 177.63 3jrm h ALA 83 N 1.09 0.61 -0.45 5.19 0.00 -2.00 -0.81 119.26 122.88 3jrm h ALA 83 Ca 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 83 Cb -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3jrm h ALA 83 CO -0.02 0.16 0.09 -0.44 0.00 0.00 0.00 179.25 179.04 3jrm h ASP 84 N 0.62 0.01 -0.74 0.00 5.19 -1.93 -2.00 116.42 117.57 3jrm h ASP 84 Ca 0.16 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.71 3jrm h ASP 84 Cb 0.10 0.10 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 3jrm h ASP 84 CO -0.02 0.04 0.43 0.00 -3.12 0.00 0.00 179.24 176.57 3jrm h ALA 85 N 1.34 1.00 -0.40 3.45 0.00 -0.80 -1.69 119.26 122.16 3jrm h ALA 85 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jrm h ALA 85 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3jrm h ALA 85 CO -0.29 0.13 0.26 -0.09 0.00 0.00 0.00 179.25 179.27 3jrm h ARG 86 N 0.79 0.53 -0.65 0.00 2.43 -0.45 -0.18 114.38 116.85 3jrm h ARG 86 Ca 0.33 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3jrm h ARG 86 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3jrm h ARG 86 CO -0.18 0.36 0.29 0.28 -1.51 0.00 0.00 179.97 179.21 3jrm h VAL 87 N 0.54 1.22 -0.04 0.20 2.07 -0.99 -1.29 116.25 117.95 3jrm h VAL 87 Ca 0.15 -0.65 -0.22 0.00 0.82 0.00 0.00 66.70 66.80 3jrm h VAL 87 Cb -0.05 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3jrm h VAL 87 CO -0.03 0.27 -0.88 -0.07 0.02 0.00 0.00 177.57 176.87 3jrm h LEU 88 N 0.93 0.64 -0.46 2.57 3.38 -0.74 -2.05 115.31 119.58 3jrm h LEU 88 Ca 0.22 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3jrm h LEU 88 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3jrm h LEU 88 CO -0.03 1.26 0.16 0.58 0.09 0.00 0.00 178.44 180.51 3jrm h VAL 89 N 0.31 1.22 -0.82 1.22 2.07 -0.69 -0.39 116.25 119.17 3jrm h VAL 89 Ca -0.07 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3jrm h VAL 89 Cb 1.51 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3jrm h VAL 89 CO 0.16 0.25 0.54 0.44 0.02 0.00 0.00 177.57 178.98 3jrm h ASP 90 N 0.60 0.91 -0.49 0.57 3.32 -1.19 -0.38 116.42 119.77 3jrm h ASP 90 Ca 0.15 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3jrm h ASP 90 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3jrm h ASP 90 CO -0.01 0.65 0.07 0.15 -1.72 0.00 0.00 179.24 178.39 3jrm h PHE 91 N 1.07 0.86 -0.65 4.55 3.57 -1.07 -1.19 116.94 124.10 3jrm h PHE 91 Ca 0.31 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3jrm h PHE 91 Cb -0.08 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 3jrm h PHE 91 CO -0.00 0.80 0.42 0.00 -2.23 0.00 0.00 178.31 177.30 3jrm h ALA 92 N 0.96 0.82 -0.15 2.41 0.00 -0.38 0.10 119.26 123.02 3jrm h ALA 92 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3jrm h ALA 92 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3jrm h ALA 92 CO 0.01 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.50 3jrm h ARG 93 N 0.86 0.27 -0.64 0.00 3.08 -0.74 -0.95 114.38 116.27 3jrm h ARG 93 Ca 0.24 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3jrm h ARG 93 Cb -0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3jrm h ARG 93 CO -0.06 0.48 0.29 0.82 -1.07 0.00 0.00 179.97 180.43 3jrm h ILE 94 N 0.02 1.22 -0.69 2.04 2.04 -1.11 -2.19 117.51 118.85 3jrm h ILE 94 Ca 0.04 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3jrm h ILE 94 Cb 0.35 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3jrm h ILE 94 CO 0.01 0.26 0.30 -1.28 0.00 0.00 0.00 178.15 177.44 3jrm h SER 95 N 0.88 0.93 -0.16 1.72 0.87 -0.78 0.13 113.55 117.14 3jrm h SER 95 Ca 0.22 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3jrm h SER 95 Cb 0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3jrm h SER 95 CO -0.03 0.82 0.00 0.00 -0.53 0.00 0.00 176.83 177.10 3jrm h ALA 96 N 1.14 0.14 -0.24 6.23 0.00 -0.97 -2.40 119.26 123.16 3jrm h ALA 96 Ca 0.23 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3jrm h ALA 96 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3jrm h ALA 96 CO -0.02 -0.44 -0.13 1.96 0.00 0.00 0.00 179.25 180.61 3jrm h GLN 97 N 0.06 0.39 -0.68 0.00 1.08 -0.83 -1.44 115.11 113.68 3jrm h GLN 97 Ca 0.07 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3jrm h GLN 97 Cb 0.09 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3jrm h GLN 97 CO -0.12 0.53 0.40 1.96 -0.95 0.00 0.00 178.83 180.64 3jrm h GLN 98 N 0.36 0.93 -0.29 1.46 4.20 -0.65 -0.83 115.11 120.29 3jrm h GLN 98 Ca 0.07 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 3jrm h GLN 98 Cb 0.46 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3jrm h GLN 98 CO 0.03 0.66 -0.39 1.49 -0.67 0.00 0.00 178.83 179.95 3jrm h GLU 99 N 0.95 0.78 -0.83 1.46 4.81 -0.91 -2.40 114.58 118.44 3jrm h GLU 99 Ca 0.25 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3jrm h GLU 99 Cb -0.01 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3jrm h GLU 99 CO -0.04 1.08 0.39 0.87 -0.73 0.00 0.00 179.01 180.58 3jrm h LYS 100 N 0.54 1.20 -0.48 1.92 1.57 -0.75 -1.42 116.57 119.15 3jrm h LYS 100 Ca 0.03 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 3jrm h LYS 100 Cb 0.98 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3jrm h LYS 100 CO 0.09 0.93 -0.14 0.28 -0.57 0.00 0.00 179.45 180.04 3jrm h VAL 101 N 1.18 1.27 -0.34 0.50 2.07 -1.14 0.44 116.25 120.24 3jrm h VAL 101 Ca 0.28 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 3jrm h VAL 101 Cb 0.13 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3jrm h VAL 101 CO -0.04 0.44 -0.14 0.74 0.02 0.00 0.00 177.57 178.60 3jrm h THR 102 N 0.80 1.29 0.00 2.57 2.02 -1.02 -3.37 112.91 115.19 3jrm h THR 102 Ca 0.12 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3jrm h THR 102 Cb 0.70 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3jrm h THR 102 CO 0.05 0.40 -0.65 -1.22 0.37 0.00 0.00 175.52 174.48 3jrm n TYR 103 N -4.36 0.00 0.00 3.16 4.01 -0.57 -5.01 117.16 114.38 3jrm n TYR 103 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3jrm n TYR 103 Cb 0.38 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 3jrm n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jrm n GLY 104 N 1.49 2.46 3.83 2.72 0.00 0.16 -5.00 105.19 110.85 3jrm n GLY 104 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3jrm n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jrm s SER 105 N -1.76 -0.06 -0.76 1.61 1.04 -1.24 -4.92 113.70 107.60 3jrm s SER 105 Ca 0.00 -0.85 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 3jrm s SER 105 Cb 0.00 0.70 0.19 0.00 0.10 0.00 0.00 66.02 67.01 3jrm s SER 105 CO 0.00 -1.36 0.61 -0.22 0.98 0.00 0.00 173.24 173.25 3jrm s LEU 106 N -3.12 5.41 0.16 2.42 0.20 -1.26 -4.42 118.68 118.07 3jrm s LEU 106 Ca 0.16 -3.31 -0.14 0.00 0.69 0.00 0.00 54.13 51.54 3jrm s LEU 106 Cb -0.04 -1.88 0.05 0.00 -0.43 0.00 0.00 46.19 43.89 3jrm s LEU 106 CO 0.08 -0.27 1.74 0.58 -0.29 0.00 0.00 176.35 178.18 3jrm h VAL 107 N 4.65 1.20 -3.30 1.68 2.07 -1.99 -3.41 116.25 117.16 3jrm h VAL 107 Ca 0.08 -0.58 -0.58 0.00 0.82 0.00 0.00 66.70 66.44 3jrm h VAL 107 Cb 0.88 0.62 -0.40 0.00 -1.52 0.00 0.00 31.29 30.87 3jrm h VAL 107 CO 0.78 0.23 -0.76 0.21 0.02 0.00 0.00 177.57 178.04 3jrm s ASN 108 N -5.93 3.77 0.58 0.57 3.84 -1.26 -1.73 114.94 114.78 3jrm s ASN 108 Ca -0.13 -1.39 0.30 0.00 0.21 0.00 0.00 52.86 51.85 3jrm s ASN 108 Cb 0.12 -0.90 1.38 0.00 -0.55 0.00 0.00 41.25 41.30 3jrm s ASN 108 CO 0.77 -0.36 1.75 0.40 -2.79 0.00 0.00 177.10 176.87 3jrm h ILE 109 N 6.53 0.29 -0.93 -5.21 2.04 -1.94 -1.51 117.51 116.79 3jrm h ILE 109 Ca -0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3jrm h ILE 109 Cb 1.05 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 3jrm h ILE 109 CO 0.43 0.00 0.59 -0.08 0.00 0.00 0.00 178.15 179.10 3jrm h GLU 110 N 0.00 0.76 -0.26 2.37 4.81 -1.98 -2.33 114.58 117.94 3jrm h GLU 110 Ca 0.36 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 3jrm h GLU 110 Cb 1.83 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 3jrm h GLU 110 CO -0.00 0.50 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.33 3jrm h ASN 111 N 0.78 0.86 -0.45 1.04 4.21 -1.70 -0.14 115.58 120.17 3jrm h ASN 111 Ca 0.47 -0.45 0.08 0.00 1.21 0.00 0.00 56.30 57.61 3jrm h ASN 111 Cb 0.68 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 37.57 3jrm h ASN 111 CO -0.24 1.23 0.07 0.25 -1.29 0.00 0.00 177.43 177.45 3jrm h LEU 112 N 0.60 -0.03 -0.56 1.61 5.85 -1.58 -1.38 115.31 119.82 3jrm h LEU 112 Ca 0.02 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3jrm h LEU 112 Cb 1.12 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3jrm h LEU 112 CO 0.11 0.02 0.13 0.58 -0.34 0.00 0.00 178.44 178.94 3jrm h VAL 113 N 0.20 1.25 -0.88 1.05 2.07 -0.97 -2.16 116.25 116.81 3jrm h VAL 113 Ca 0.22 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3jrm h VAL 113 Cb 0.30 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3jrm h VAL 113 CO -0.31 0.33 0.55 0.11 0.02 0.00 0.00 177.57 178.27 3jrm h LYS 114 N 0.80 0.97 -0.59 1.57 1.57 -0.74 0.13 116.57 120.29 3jrm h LYS 114 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3jrm h LYS 114 Cb 0.36 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3jrm h LYS 114 CO 0.00 0.64 0.15 0.00 -0.57 0.00 0.00 179.45 179.68 3jrm h ARG 115 N 1.00 0.90 -0.28 3.15 3.08 -0.64 0.19 114.38 121.79 3jrm h ARG 115 Ca 0.39 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 3jrm h ARG 115 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3jrm h ARG 115 CO -0.17 0.80 -0.19 0.28 -1.07 0.00 0.00 179.97 179.62 3jrm h VAL 116 N 0.87 1.30 -0.12 2.04 2.07 -0.94 -2.56 116.25 118.91 3jrm h VAL 116 Ca 0.19 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3jrm h VAL 116 Cb 0.30 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3jrm h VAL 116 CO -0.00 0.42 -0.14 0.00 0.02 0.00 0.00 177.57 177.86 3jrm h ALA 117 N 0.73 1.56 -0.20 1.67 0.00 -0.34 -2.32 119.26 120.35 3jrm h ALA 117 Ca 0.06 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3jrm h ALA 117 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3jrm h ALA 117 CO 0.05 0.32 -0.65 -0.44 0.00 0.00 0.00 179.25 178.53 3jrm h ASP 118 N 0.17 0.85 -0.96 0.00 3.32 -0.56 -0.94 116.42 118.32 3jrm h ASP 118 Ca 0.04 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.63 3jrm h ASP 118 Cb 0.36 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 3jrm h ASP 118 CO 0.02 1.28 0.62 -0.61 -1.72 0.00 0.00 179.24 178.83 3jrm h GLN 119 N 0.54 1.13 -0.22 3.56 5.75 -1.13 -1.56 115.11 123.18 3jrm h GLN 119 Ca -0.01 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 3jrm h GLN 119 Cb 1.25 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.55 3jrm h GLN 119 CO 0.13 0.75 -0.50 0.52 -2.65 0.00 0.00 178.83 177.08 3jrm h MET 120 N 1.16 0.72 -0.85 1.69 2.86 -1.27 -3.24 114.93 116.01 3jrm h MET 120 Ca 0.40 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3jrm h MET 120 Cb 0.08 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 3jrm h MET 120 CO -0.15 1.11 0.46 0.37 1.06 0.00 0.00 176.91 179.76 3jrm h GLN 121 N 0.44 1.19 -0.89 1.72 -0.00 -0.98 -2.18 115.11 114.41 3jrm h GLN 121 Ca -0.00 -0.14 0.16 0.00 -0.00 0.00 0.00 58.65 58.67 3jrm h GLN 121 Cb 1.11 -0.23 -0.10 0.00 0.00 0.00 0.00 27.48 28.26 3jrm h GLN 121 CO 0.11 0.88 0.47 1.96 0.00 0.00 0.00 178.83 182.25 3jrm h GLN 122 N 1.20 0.61 0.00 1.69 4.20 -1.31 -0.39 115.11 121.10 3jrm h GLN 122 Ca 0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3jrm h GLN 122 Cb 0.04 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3jrm h GLN 122 CO -0.05 0.40 0.00 0.66 -0.67 0.00 0.00 178.83 179.18 3jrm n TYR 123 N -4.87 0.00 0.01 2.96 4.02 -0.82 -1.96 117.16 116.49 3jrm n TYR 123 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.13 3jrm n TYR 123 Cb 0.49 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.92 3jrm n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3jrm n THR 124 N -0.63 0.71 0.00 -0.72 -2.24 -0.16 -3.15 114.28 108.08 3jrm n THR 124 Ca 0.06 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3jrm n THR 124 Cb 0.03 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3jrm n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3jrm n GLN 125 N 0.48 2.52 -4.03 -0.78 7.27 -0.83 -4.74 117.38 117.28 3jrm n GLN 125 Ca 0.09 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.81 3jrm n GLN 125 Cb 0.37 -0.77 -0.12 0.00 2.41 0.00 0.00 30.24 32.13 3jrm n GLN 125 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3jrm s TYR 126 N -1.27 3.08 0.84 3.69 2.02 -1.15 -4.84 117.35 119.73 3jrm s TYR 126 Ca 0.00 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3jrm s TYR 126 Cb 0.00 -2.10 0.10 0.00 -0.40 0.00 0.00 41.96 39.56 3jrm s TYR 126 CO 0.00 -0.18 1.16 0.20 -1.57 0.00 0.00 175.55 175.17 3jrm s GLY 127 N 0.96 1.91 0.00 0.71 0.00 -1.26 -3.69 107.32 105.96 3jrm s GLY 127 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3jrm s GLY 127 CO 0.02 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.80 3jrm n GLY 128 N 0.13 0.25 3.22 0.20 0.00 -1.26 -5.05 105.19 102.69 3jrm n GLY 128 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 3jrm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jrm s VAL 129 N -2.06 1.09 0.26 1.61 -7.23 -1.24 -5.16 120.40 107.66 3jrm s VAL 129 Ca 0.00 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 3jrm s VAL 129 Cb 0.00 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 3jrm s VAL 129 CO 0.00 -0.68 0.29 0.00 -0.31 0.00 0.00 175.10 174.41 3jrm s ARG 130 N -3.39 3.14 0.86 4.82 1.70 -1.26 -4.84 118.95 119.98 3jrm s ARG 130 Ca 0.13 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 3jrm s ARG 130 Cb 0.01 -2.71 0.11 0.00 -0.57 0.00 0.00 34.95 31.78 3jrm s ARG 130 CO 0.00 0.36 1.09 -2.14 -1.08 0.00 0.00 175.30 173.54 3jrm s PRO 131 N -3.94 1.54 0.06 3.89 0.02 -1.19 -4.89 135.00 130.50 3jrm s PRO 131 Ca 0.35 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 3jrm s PRO 131 Cb -0.08 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3jrm s PRO 131 CO 0.27 -2.11 1.17 0.71 -0.33 0.00 0.00 177.00 176.71 3jrm s TYR 132 N -2.87 3.47 -1.17 6.54 1.51 -1.26 -4.95 117.35 118.62 3jrm s TYR 132 Ca 0.63 1.35 -0.06 0.00 -1.01 0.00 0.00 57.07 57.99 3jrm s TYR 132 Cb -0.18 -3.38 0.06 0.00 -0.11 0.00 0.00 41.96 38.34 3jrm s TYR 132 CO 0.57 -1.12 2.60 0.41 -1.11 0.00 0.00 175.55 176.90 3jrm n GLY 133 N 3.14 4.82 2.92 0.71 0.00 -1.26 -4.50 105.19 111.02 3jrm n GLY 133 Ca 0.08 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 3jrm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jrm s VAL 134 N -0.71 0.01 0.09 1.61 1.01 -1.26 -1.08 120.40 120.07 3jrm s VAL 134 Ca 0.58 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.56 3jrm s VAL 134 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.48 3jrm s VAL 134 CO -0.11 -0.04 -0.11 -0.44 0.00 0.00 0.00 175.10 174.41 3jrm s SER 135 N -0.10 4.36 0.01 3.32 0.01 -0.62 -2.84 113.70 117.83 3jrm s SER 135 Ca -0.01 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 56.92 3jrm s SER 135 Cb -0.01 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 3jrm s SER 135 CO 0.00 0.19 -0.16 -0.76 0.41 0.00 0.00 173.24 172.92 3jrm s LEU 136 N -2.10 2.08 -0.14 2.44 1.02 0.04 -1.40 118.68 120.63 3jrm s LEU 136 Ca 0.20 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.95 3jrm s LEU 136 Cb -0.11 -0.79 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 3jrm s LEU 136 CO 0.13 0.15 0.02 -0.63 0.02 0.00 0.00 176.35 176.04 3jrm s ILE 137 N -0.54 4.42 -0.10 -0.59 1.01 -0.07 -1.16 121.20 124.17 3jrm s ILE 137 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3jrm s ILE 137 Cb -0.07 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3jrm s ILE 137 CO 0.00 0.52 -0.15 -0.36 0.00 0.00 0.00 174.94 174.96 3jrm s PHE 138 N -0.11 2.74 -0.01 3.97 0.08 0.30 -1.39 117.98 123.57 3jrm s PHE 138 Ca 0.05 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.54 3jrm s PHE 138 Cb -0.12 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3jrm s PHE 138 CO 0.02 -0.13 0.00 0.00 -0.10 0.00 0.00 175.22 175.01 3jrm s ALA 139 N 0.04 0.07 0.01 5.36 0.00 -0.58 -0.80 121.76 125.87 3jrm s ALA 139 Ca -0.06 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 3jrm s ALA 139 Cb -0.15 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.95 3jrm s ALA 139 CO 0.05 -0.02 0.80 0.41 0.00 0.00 0.00 175.76 176.99 3jrm n GLY 140 N 3.37 0.45 3.52 0.00 0.00 -0.92 -1.01 105.19 110.59 3jrm n GLY 140 Ca -0.16 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 3jrm n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jrm s ILE 141 N -2.10 3.49 0.00 -0.61 -1.09 -0.68 -0.48 121.20 119.73 3jrm s ILE 141 Ca 0.19 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3jrm s ILE 141 Cb -0.01 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 3jrm s ILE 141 CO 0.00 0.57 0.00 -0.90 -1.23 0.00 0.00 174.94 173.38 3jrm n ASP 142 N 2.62 0.35 0.27 3.58 5.68 -0.30 -4.84 116.55 123.90 3jrm n ASP 142 Ca -0.18 -0.74 0.17 0.00 -0.50 0.00 0.00 54.79 53.55 3jrm n ASP 142 Cb 0.53 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.26 3jrm n ASP 142 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3jrm h GLN 143 N 0.00 0.00 0.09 0.11 4.20 -1.58 -1.93 115.11 115.99 3jrm h GLN 143 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 3jrm h GLN 143 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3jrm h GLN 143 CO 0.00 0.00 -1.14 0.82 -0.67 0.00 0.00 178.83 177.84 3jrm h ILE 144 N 0.00 1.48 0.00 2.54 5.03 -1.97 -3.51 117.51 121.09 3jrm h ILE 144 Ca 0.00 -2.91 0.00 0.00 -0.12 0.00 0.00 64.86 61.83 3jrm h ILE 144 Cb 0.40 2.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.98 3jrm h ILE 144 CO 0.00 0.85 0.00 0.61 -0.68 0.00 0.00 178.15 178.93 3jrm n GLY 145 N 1.35 0.66 3.72 5.37 0.00 -0.73 -5.08 105.19 110.48 3jrm n GLY 145 Ca -0.07 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3jrm n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jrm s PRO 146 N -2.00 4.58 0.12 1.61 0.02 -1.26 -1.15 135.00 136.91 3jrm s PRO 146 Ca 0.00 1.59 0.09 0.00 0.02 0.00 0.00 61.00 62.70 3jrm s PRO 146 Cb 0.00 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3jrm s PRO 146 CO 0.00 0.01 -0.23 1.03 -0.33 0.00 0.00 177.00 177.48 3jrm s ARG 147 N 0.37 1.24 -0.22 5.54 1.81 0.36 -4.99 118.95 123.06 3jrm s ARG 147 Ca 0.51 -1.25 -0.04 0.00 -1.72 0.00 0.00 55.73 53.24 3jrm s ARG 147 Cb -0.26 -1.58 0.12 0.00 -0.45 0.00 0.00 34.95 32.78 3jrm s ARG 147 CO 0.31 0.37 0.35 -1.17 -0.68 0.00 0.00 175.30 174.48 3jrm s LEU 148 N -2.02 -0.54 0.14 2.53 2.96 -1.26 -2.17 118.68 118.33 3jrm s LEU 148 Ca 0.10 0.29 0.10 0.00 -0.22 0.00 0.00 54.13 54.40 3jrm s LEU 148 Cb -0.10 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.57 3jrm s LEU 148 CO 0.05 -0.29 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.20 3jrm s PHE 149 N 2.51 2.07 0.43 5.38 0.40 0.02 -0.55 117.98 128.24 3jrm s PHE 149 Ca 0.09 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 3jrm s PHE 149 Cb -0.15 -1.08 -0.06 0.00 0.51 0.00 0.00 43.02 42.24 3jrm s PHE 149 CO -0.14 0.34 0.03 0.16 0.70 0.00 0.00 175.22 176.31 3jrm s ASP 150 N -2.27 3.99 -0.29 1.36 1.47 -0.64 -0.54 116.67 119.76 3jrm s ASP 150 Ca 0.14 -1.39 -0.14 0.00 1.18 0.00 0.00 52.55 52.34 3jrm s ASP 150 Cb -0.09 -0.23 0.11 0.00 -0.34 0.00 0.00 42.92 42.38 3jrm s ASP 150 CO 0.06 -0.54 0.72 0.00 0.68 0.00 0.00 175.17 176.09 3jrm s ASP 152 N 2.16 4.40 0.65 0.00 -4.77 -1.05 -0.78 116.67 117.29 3jrm s ASP 152 Ca -0.08 -1.34 0.35 0.00 -3.30 0.00 0.00 52.55 48.18 3jrm s ASP 152 Cb -0.08 0.21 1.90 0.00 -1.09 0.00 0.00 42.92 43.86 3jrm s ASP 152 CO -0.19 -0.87 2.10 -0.65 0.70 0.00 0.00 175.17 176.26 3jrm h PRO 153 N 1.14 0.00 0.00 2.11 0.11 -1.75 -0.82 132.00 132.78 3jrm h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3jrm h PRO 153 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3jrm h PRO 153 CO 0.66 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.40 3jrm n ALA 154 N -2.03 2.35 -0.67 -0.75 0.00 -1.26 -4.63 120.51 113.53 3jrm n ALA 154 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3jrm n ALA 154 Cb 0.28 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3jrm n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrm n GLY 155 N 1.33 0.62 3.71 0.00 0.00 -0.31 -4.19 105.19 106.36 3jrm n GLY 155 Ca 0.06 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3jrm n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jrm s THR 156 N -2.00 4.68 0.04 2.61 2.01 -1.26 -4.74 115.64 116.98 3jrm s THR 156 Ca 0.00 1.92 0.06 0.00 0.31 0.00 0.00 61.69 63.99 3jrm s THR 156 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3jrm s THR 156 CO 0.00 0.14 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.28 3jrm s ILE 157 N 1.12 2.98 -0.05 1.82 1.01 -1.26 -2.54 121.20 124.27 3jrm s ILE 157 Ca 0.53 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 3jrm s ILE 157 Cb -0.23 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3jrm s ILE 157 CO 0.27 0.34 0.28 0.20 0.00 0.00 0.00 174.94 176.03 3jrm s ASN 158 N -1.47 -0.21 -0.11 3.58 -0.87 -1.09 -5.00 114.94 109.77 3jrm s ASN 158 Ca 0.15 0.26 -0.10 0.00 -1.57 0.00 0.00 52.86 51.61 3jrm s ASN 158 Cb -0.11 0.42 -0.05 0.00 -0.02 0.00 0.00 41.25 41.50 3jrm s ASN 158 CO 0.06 -0.28 0.21 -0.70 -2.57 0.00 0.00 177.10 173.82 3jrm s GLU 159 N -0.68 3.76 0.20 -0.60 2.12 -1.26 -1.62 118.70 120.62 3jrm s GLU 159 Ca -0.08 -0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.30 3jrm s GLU 159 Cb -0.04 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3jrm s GLU 159 CO 0.02 0.61 -0.07 0.71 -0.54 0.00 0.00 175.26 175.99 3jrm s TYR 160 N -0.62 1.51 -0.05 5.30 1.51 0.29 -5.00 117.35 120.29 3jrm s TYR 160 Ca 0.16 -0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 3jrm s TYR 160 Cb -0.13 -0.80 -0.26 0.00 -0.11 0.00 0.00 41.96 40.65 3jrm s TYR 160 CO 0.05 0.11 0.63 0.87 -1.11 0.00 0.00 175.55 176.10 3jrm h LYS 161 N 2.59 0.21 -2.39 -0.62 1.57 -1.94 -3.39 116.57 112.60 3jrm h LYS 161 Ca -0.38 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 57.97 3jrm h LYS 161 Cb 1.21 0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.45 3jrm h LYS 161 CO 0.64 1.02 -0.02 0.00 -0.57 0.00 0.00 179.45 180.52 3jrm s ALA 162 N -2.59 -1.39 0.27 3.86 0.00 -1.26 -0.17 121.76 120.48 3jrm s ALA 162 Ca -0.13 1.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 3jrm s ALA 162 Cb 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.84 3jrm s ALA 162 CO 0.82 -0.30 0.76 -0.08 0.00 0.00 0.00 175.76 176.96 3jrm s THR 163 N -0.58 0.00 0.19 0.00 -1.32 -0.61 -5.01 115.64 108.32 3jrm s THR 163 Ca -0.07 -0.95 -0.06 0.00 -1.21 0.00 0.00 61.69 59.40 3jrm s THR 163 Cb -0.03 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.89 3jrm s THR 163 CO 0.05 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.70 3jrm s ALA 164 N -3.74 0.51 0.05 11.08 0.00 -1.26 -1.70 121.76 126.70 3jrm s ALA 164 Ca 0.11 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 3jrm s ALA 164 Cb -0.05 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 3jrm s ALA 164 CO 0.07 -0.65 0.10 0.96 0.00 0.00 0.00 175.76 176.23 3jrm s ILE 165 N -4.07 0.15 0.00 0.00 -4.36 -0.53 -4.92 121.20 107.48 3jrm s ILE 165 Ca 0.28 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 3jrm s ILE 165 Cb 0.04 -1.14 0.00 0.00 1.25 0.00 0.00 42.46 42.61 3jrm s ILE 165 CO 0.07 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.17 3jrm n GLY 166 N 0.40 -1.55 0.11 6.27 0.00 -1.26 -1.71 105.19 107.45 3jrm n GLY 166 Ca -0.17 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 3jrm n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jrm h SER 167 N 0.00 0.07 -0.04 1.61 4.64 -0.74 -2.14 113.55 116.95 3jrm h SER 167 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3jrm h SER 167 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3jrm h SER 167 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3jrm n GLY 168 N -1.17 1.18 0.32 -0.77 0.00 -1.26 -4.49 105.19 98.99 3jrm n GLY 168 Ca -0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 3jrm n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jrm h LYS 169 N 0.25 -0.22 -0.32 1.61 3.64 -1.61 -1.57 116.57 118.35 3jrm h LYS 169 Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3jrm h LYS 169 Cb 0.50 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3jrm h LYS 169 CO 0.03 -0.14 -0.20 -0.44 -2.27 0.00 0.00 179.45 176.42 3jrm h ASP 170 N -0.23 0.73 0.04 4.20 3.32 -1.85 0.14 116.42 122.77 3jrm h ASP 170 Ca 0.18 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.83 3jrm h ASP 170 Cb 0.52 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 3jrm h ASP 170 CO -0.52 1.00 -0.32 0.00 -1.72 0.00 0.00 179.24 177.68 3jrm h ALA 171 N 0.75 -0.49 -0.73 3.45 0.00 -1.87 -1.53 119.26 118.84 3jrm h ALA 171 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 171 Cb 0.75 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3jrm h ALA 171 CO 0.06 -0.84 0.39 0.28 0.00 0.00 0.00 179.25 179.14 3jrm h VAL 172 N -0.49 1.22 -0.15 0.00 2.07 -0.98 -1.95 116.25 115.97 3jrm h VAL 172 Ca 0.05 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3jrm h VAL 172 Cb 0.56 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3jrm h VAL 172 CO -0.24 0.25 -0.30 0.58 0.02 0.00 0.00 177.57 177.87 3jrm h VAL 173 N 1.02 1.36 -0.32 2.57 2.07 -0.56 -1.97 116.25 120.43 3jrm h VAL 173 Ca 0.26 -1.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 3jrm h VAL 173 Cb 0.04 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3jrm h VAL 173 CO -0.04 0.47 -0.28 0.77 0.02 0.00 0.00 177.57 178.51 3jrm h SER 174 N 0.09 0.66 -0.83 0.57 4.64 -1.16 0.18 113.55 117.71 3jrm h SER 174 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3jrm h SER 174 Cb 0.90 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 3jrm h SER 174 CO 0.07 0.91 0.52 0.15 -0.87 0.00 0.00 176.83 177.61 3jrm h PHE 175 N 0.56 1.07 -0.07 4.77 3.04 -1.35 -1.76 116.94 123.21 3jrm h PHE 175 Ca 0.07 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.86 3jrm h PHE 175 Cb 0.76 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 3jrm h PHE 175 CO 0.03 0.70 -0.72 -0.07 -2.02 0.00 0.00 178.31 176.23 3jrm h LEU 176 N 1.13 0.40 -1.20 0.59 3.38 -0.93 0.46 115.31 119.15 3jrm h LEU 176 Ca 0.30 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3jrm h LEU 176 Cb -0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3jrm h LEU 176 CO -0.06 0.99 0.56 -0.08 0.09 0.00 0.00 178.44 179.95 3jrm h GLU 177 N 0.23 0.92 0.23 1.13 4.81 -0.34 0.78 114.58 122.35 3jrm h GLU 177 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3jrm h GLU 177 Cb 1.28 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3jrm h GLU 177 CO 0.12 0.61 -0.11 0.00 -0.73 0.00 0.00 179.01 178.90 3jrm h ARG 178 N 0.95 -0.30 0.00 1.92 3.08 -1.11 -3.41 114.38 115.51 3jrm h ARG 178 Ca 0.38 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3jrm h ARG 178 Cb 0.24 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3jrm h ARG 178 CO -0.14 -0.08 -0.79 0.39 -1.07 0.00 0.00 179.97 178.28 3jrm n GLU 179 N -4.98 0.16 -2.34 0.04 -0.58 0.13 -4.97 120.64 108.11 3jrm n GLU 179 Ca -0.05 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3jrm n GLU 179 Cb 0.18 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 3jrm n GLU 179 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3jrm s TYR 180 N -3.10 3.38 0.02 -0.32 5.04 0.26 -5.03 117.35 117.60 3jrm s TYR 180 Ca 0.07 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.24 3jrm s TYR 180 Cb 0.15 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 3jrm s TYR 180 CO 0.76 -1.20 -0.14 0.15 -1.34 0.00 0.00 175.55 173.79 3jrm s LYS 181 N -0.97 1.01 0.58 4.97 1.02 -1.26 -5.00 119.74 120.08 3jrm s LYS 181 Ca 0.50 -0.64 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 3jrm s LYS 181 Cb -0.34 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 3jrm s LYS 181 CO 0.42 0.26 1.10 -1.21 -0.92 0.00 0.00 175.35 175.00 3jrm s GLU 182 N -0.77 3.25 -1.44 1.68 2.02 -1.26 -4.08 118.70 118.11 3jrm s GLU 182 Ca 0.03 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.49 3jrm s GLU 182 Cb -0.07 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3jrm s GLU 182 CO 0.00 -0.90 0.00 0.09 0.02 0.00 0.00 175.26 174.47 3jrm n ASN 183 N -1.67 -4.64 -4.72 -0.19 3.02 -1.26 -4.92 115.26 100.88 3jrm n ASN 183 Ca 0.11 0.22 -0.37 0.00 -0.03 0.00 0.00 54.58 54.50 3jrm n ASN 183 Cb 0.52 -3.56 0.07 0.00 -0.61 0.00 0.00 39.78 36.19 3jrm n ASN 183 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3jrm n LEU 184 N -1.83 5.83 -4.68 3.41 4.77 -1.26 -4.04 117.00 119.20 3jrm n LEU 184 Ca -0.16 0.83 -0.31 0.00 -0.03 0.00 0.00 56.01 56.35 3jrm n LEU 184 Cb 0.54 -1.54 0.15 0.00 -2.33 0.00 0.00 43.42 40.24 3jrm n LEU 184 CO 0.21 -1.06 0.66 -2.84 -1.33 0.00 0.00 177.39 173.04 3jrm s PRO 185 N -3.30 1.13 0.12 3.23 0.02 -1.26 -1.13 135.00 133.82 3jrm s PRO 185 Ca 0.82 1.28 -0.23 0.00 0.02 0.00 0.00 61.00 62.89 3jrm s PRO 185 Cb -0.38 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 3jrm s PRO 185 CO 0.41 -2.46 1.68 1.49 -0.33 0.00 0.00 177.00 177.79 3jrm h GLU 186 N -1.73 -0.17 -0.70 5.54 4.81 -1.94 -1.48 114.58 118.90 3jrm h GLU 186 Ca -0.46 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3jrm h GLU 186 Cb 1.27 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 3jrm h GLU 186 CO 0.47 -0.12 0.46 0.87 -0.73 0.00 0.00 179.01 179.97 3jrm h LYS 187 N -0.18 0.82 -0.30 1.92 1.57 -1.99 0.05 116.57 118.46 3jrm h LYS 187 Ca 0.06 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3jrm h LYS 187 Cb 0.27 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3jrm h LYS 187 CO -0.17 0.54 -0.48 0.93 -0.57 0.00 0.00 179.45 179.71 3jrm h GLU 188 N 0.85 0.81 -0.27 3.15 5.08 -1.84 -2.28 114.58 120.08 3jrm h GLU 188 Ca 0.28 -0.47 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3jrm h GLU 188 Cb 0.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3jrm h GLU 188 CO -0.08 1.11 0.10 0.00 -1.00 0.00 0.00 179.01 179.14 3jrm h ALA 189 N 0.81 0.31 -0.82 3.43 0.00 -0.19 -0.04 119.26 122.76 3jrm h ALA 189 Ca 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jrm h ALA 189 Cb 1.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3jrm h ALA 189 CO 0.11 -0.31 0.51 0.28 0.00 0.00 0.00 179.25 179.84 3jrm h VAL 190 N 0.22 1.22 -0.14 0.00 2.07 -1.02 -0.91 116.25 117.69 3jrm h VAL 190 Ca 0.12 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3jrm h VAL 190 Cb 0.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3jrm h VAL 190 CO -0.12 0.23 0.04 0.74 0.02 0.00 0.00 177.57 178.48 3jrm h THR 191 N 1.12 1.19 -0.91 2.57 2.02 -0.97 -0.69 112.91 117.23 3jrm h THR 191 Ca 0.30 -0.58 0.10 0.00 0.77 0.00 0.00 66.41 66.99 3jrm h THR 191 Cb -0.07 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.58 3jrm h THR 191 CO -0.06 0.17 0.55 0.25 0.37 0.00 0.00 175.52 176.80 3jrm h LEU 192 N 0.03 0.80 -0.37 2.58 5.85 -0.80 -0.13 115.31 123.27 3jrm h LEU 192 Ca 0.04 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3jrm h LEU 192 Cb 0.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3jrm h LEU 192 CO -0.00 0.45 0.05 1.23 -0.34 0.00 0.00 178.44 179.83 3jrm h GLY 193 N 0.90 0.66 1.00 3.75 0.00 -0.69 -1.15 103.07 107.55 3jrm h GLY 193 Ca 0.44 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 3jrm h GLY 193 CO -0.25 0.42 0.27 -2.22 0.00 0.00 0.00 176.54 174.76 3jrm h ILE 194 N 0.45 1.23 -0.34 2.60 1.08 -0.61 -0.49 117.51 121.43 3jrm h ILE 194 Ca 0.11 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3jrm h ILE 194 Cb 0.38 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 3jrm h ILE 194 CO 0.01 0.28 0.14 0.11 -0.69 0.00 0.00 178.15 177.99 3jrm h LYS 195 N 0.88 0.29 -0.53 2.37 1.57 -0.87 -1.15 116.57 119.13 3jrm h LYS 195 Ca 0.21 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3jrm h LYS 195 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3jrm h LYS 195 CO -0.02 0.19 0.25 0.00 -0.57 0.00 0.00 179.45 179.30 3jrm h ALA 196 N 1.20 0.69 -0.18 3.86 0.00 -0.83 -0.65 119.26 123.35 3jrm h ALA 196 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3jrm h ALA 196 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jrm h ALA 196 CO -0.13 0.25 0.09 1.25 0.00 0.00 0.00 179.25 180.71 3jrm h LEU 197 N 0.71 0.24 -1.07 0.00 5.85 -0.90 -2.34 115.31 117.79 3jrm h LEU 197 Ca 0.18 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3jrm h LEU 197 Cb 0.12 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3jrm h LEU 197 CO -0.02 0.29 0.62 0.11 -0.34 0.00 0.00 178.44 179.10 3jrm h LYS 198 N 0.17 0.98 0.00 1.25 1.57 -0.94 -1.45 116.57 118.15 3jrm h LYS 198 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jrm h LYS 198 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3jrm h LYS 198 CO -0.01 0.65 0.00 -1.13 -0.57 0.00 0.00 179.45 178.39 3jrm n SER 199 N -4.56 0.11 -0.08 0.86 3.41 -0.27 -1.87 113.62 111.22 3jrm n SER 199 Ca 0.17 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 3jrm n SER 199 Cb 0.30 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 3jrm n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jrm n SER 200 N -1.64 1.16 -4.81 4.04 3.41 -0.54 -4.89 113.62 110.34 3jrm n SER 200 Ca 0.01 -1.08 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 3jrm n SER 200 Cb 0.05 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 3jrm n SER 200 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jrm s LEU 201 N -2.92 3.91 -0.01 1.04 1.43 -0.78 -4.88 118.68 116.47 3jrm s LEU 201 Ca 0.10 1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 3jrm s LEU 201 Cb 0.16 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 3jrm s LEU 201 CO 0.82 -0.48 2.00 -0.62 0.23 0.00 0.00 176.35 178.30 3jrm n GLU 202 N -0.74 2.67 -1.26 1.70 -0.58 -1.26 -4.97 120.64 116.20 3jrm n GLU 202 Ca 0.08 0.96 -0.34 0.00 -0.42 0.00 0.00 57.16 57.43 3jrm n GLU 202 Cb 0.54 -2.99 0.11 0.00 -0.57 0.00 0.00 31.44 28.53 3jrm n GLU 202 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3jrm s GLU 203 N 4.67 1.86 -1.03 3.49 4.04 -1.26 -2.14 118.70 128.33 3jrm s GLU 203 Ca 0.91 1.81 -0.04 0.00 0.04 0.00 0.00 54.97 57.69 3jrm s GLU 203 Cb -0.46 -1.79 0.00 0.00 0.02 0.00 0.00 34.13 31.90 3jrm s GLU 203 CO 0.43 -2.06 0.88 0.41 -1.84 0.00 0.00 175.26 173.08 3jrm n GLY 204 N 0.54 -0.22 3.18 -3.83 0.00 -1.26 -5.05 105.19 98.55 3jrm n GLY 204 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3jrm n GLY 204 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jrm s GLU 205 N -5.68 0.26 -0.01 1.61 2.12 -0.91 -5.15 118.70 110.93 3jrm s GLU 205 Ca 0.29 0.93 -0.17 0.00 0.36 0.00 0.00 54.97 56.38 3jrm s GLU 205 Cb -0.13 0.20 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 3jrm s GLU 205 CO 0.58 -0.26 0.47 -2.00 -0.54 0.00 0.00 175.26 173.51 3jrm s GLU 206 N 2.51 4.11 -0.24 4.30 2.12 -1.26 -4.85 118.70 125.40 3jrm s GLU 206 Ca -0.01 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.54 3jrm s GLU 206 Cb -0.12 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 3jrm s GLU 206 CO -0.11 0.53 1.29 -1.17 -0.54 0.00 0.00 175.26 175.26 3jrm s LEU 207 N -0.61 4.02 0.87 2.70 2.96 -1.26 -5.04 118.68 122.31 3jrm s LEU 207 Ca 0.26 1.44 -0.13 0.00 -0.22 0.00 0.00 54.13 55.47 3jrm s LEU 207 Cb -0.17 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.12 3jrm s LEU 207 CO 0.14 -0.94 1.23 -0.54 -1.32 0.00 0.00 176.35 174.92 3jrm s LYS 208 N 3.88 1.32 -0.14 1.98 1.02 -1.26 -4.95 119.74 121.59 3jrm s LYS 208 Ca 0.56 -0.24 -0.32 0.00 0.02 0.00 0.00 55.97 55.99 3jrm s LYS 208 Cb -0.19 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 3jrm s LYS 208 CO 0.19 -1.96 2.04 0.00 -0.92 0.00 0.00 175.35 174.70 3jrm n ALA 209 N -3.48 1.31 -1.95 5.17 0.00 -1.26 -4.92 120.51 115.37 3jrm n ALA 209 Ca 0.12 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 3jrm n ALA 209 Cb 0.60 -2.66 0.10 0.00 0.00 0.00 0.00 19.45 17.49 3jrm n ALA 209 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jrm s PRO 210 N 5.11 1.79 0.08 0.00 0.04 -1.26 -4.70 135.00 136.06 3jrm s PRO 210 Ca 0.97 -0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 3jrm s PRO 210 Cb -0.56 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.74 3jrm s PRO 210 CO 0.45 -1.48 0.54 -1.21 0.04 0.00 0.00 177.00 175.34 3jrm s GLU 211 N -5.31 4.10 -0.03 4.56 2.02 -0.33 -4.92 118.70 118.80 3jrm s GLU 211 Ca 0.64 0.63 0.01 0.00 0.02 0.00 0.00 54.97 56.27 3jrm s GLU 211 Cb -0.08 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 31.02 3jrm s GLU 211 CO 0.46 0.60 -0.02 0.42 0.02 0.00 0.00 175.26 176.74 3jrm s ILE 212 N -1.21 0.30 0.01 -1.63 1.01 -1.26 -1.34 121.20 117.08 3jrm s ILE 212 Ca 0.31 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.94 3jrm s ILE 212 Cb -0.18 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3jrm s ILE 212 CO 0.18 0.15 -0.05 0.00 0.00 0.00 0.00 174.94 175.22 3jrm s ALA 213 N 0.72 0.42 0.04 9.38 0.00 -0.70 -0.82 121.76 130.80 3jrm s ALA 213 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 3jrm s ALA 213 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3jrm s ALA 213 CO -0.01 0.05 0.04 -1.54 0.00 0.00 0.00 175.76 174.30 3jrm s SER 214 N -0.58 0.30 -0.08 0.00 1.04 -0.59 -0.92 113.70 112.88 3jrm s SER 214 Ca -0.02 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 3jrm s SER 214 Cb -0.04 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3jrm s SER 214 CO -0.00 -0.53 0.22 -0.51 0.98 0.00 0.00 173.24 173.40 3jrm s ILE 215 N -3.05 -0.00 0.12 -1.02 2.07 -0.92 -1.00 121.20 117.40 3jrm s ILE 215 Ca -0.01 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.32 3jrm s ILE 215 Cb 0.02 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 3jrm s ILE 215 CO -0.07 0.00 -0.22 0.42 -1.91 0.00 0.00 174.94 173.17 3jrm s THR 216 N 0.13 1.84 0.26 4.00 -4.23 -1.26 -1.95 115.64 114.43 3jrm s THR 216 Ca -0.00 -1.65 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 3jrm s THR 216 Cb -0.02 -1.69 -0.14 0.00 1.34 0.00 0.00 72.50 71.99 3jrm s THR 216 CO 0.00 -0.08 1.02 0.52 -0.54 0.00 0.00 174.62 175.54 3jrm n VAL 217 N 0.90 1.76 -1.07 2.29 0.31 0.11 -1.84 118.33 120.79 3jrm n VAL 217 Ca -0.18 -0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 63.68 3jrm n VAL 217 Cb 0.54 -0.92 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 3jrm n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jrm n GLY 218 N 1.44 0.56 3.33 2.92 0.00 -1.26 -5.02 105.19 107.16 3jrm n GLY 218 Ca 0.11 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 3jrm n GLY 218 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jrm s ASN 219 N -2.40 1.35 0.47 1.61 0.01 -0.77 -5.16 114.94 110.05 3jrm s ASN 219 Ca 0.00 -1.46 0.01 0.00 -0.71 0.00 0.00 52.86 50.70 3jrm s ASN 219 Cb 0.00 0.27 0.01 0.00 0.41 0.00 0.00 41.25 41.94 3jrm s ASN 219 CO 0.00 -0.80 0.68 -0.54 -1.51 0.00 0.00 177.10 174.93 3jrm s LYS 220 N -3.94 2.91 0.53 -0.60 1.02 -1.26 -4.69 119.74 113.70 3jrm s LYS 220 Ca 0.37 -0.64 -0.22 0.00 0.02 0.00 0.00 55.97 55.50 3jrm s LYS 220 Cb 0.06 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 3jrm s LYS 220 CO 0.15 -0.38 1.31 0.71 -0.92 0.00 0.00 175.35 176.22 3jrm s TYR 221 N -2.58 2.42 -0.03 3.18 1.51 -0.60 -4.64 117.35 116.62 3jrm s TYR 221 Ca 0.51 1.42 0.05 0.00 -1.01 0.00 0.00 57.07 58.03 3jrm s TYR 221 Cb -0.10 -3.69 -0.01 0.00 -0.11 0.00 0.00 41.96 38.05 3jrm s TYR 221 CO 0.37 -2.55 -0.16 -0.98 -1.11 0.00 0.00 175.55 171.12 3jrm s ARG 222 N -2.88 1.51 -0.21 -0.62 1.70 -0.17 -5.00 118.95 113.28 3jrm s ARG 222 Ca 0.70 -0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 55.24 3jrm s ARG 222 Cb -0.37 -1.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.58 3jrm s ARG 222 CO 0.44 0.29 0.34 0.42 -1.08 0.00 0.00 175.30 175.70 3jrm s ILE 223 N -0.15 5.24 0.28 4.99 -1.09 -1.26 -1.54 121.20 127.67 3jrm s ILE 223 Ca 0.01 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 58.71 3jrm s ILE 223 Cb -0.09 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 3jrm s ILE 223 CO 0.01 0.28 1.33 -0.31 -1.23 0.00 0.00 174.94 175.02 3jrm s TYR 224 N 1.21 3.11 0.46 3.97 1.51 -0.00 -5.01 117.35 122.60 3jrm s TYR 224 Ca 0.16 1.30 -0.05 0.00 -1.01 0.00 0.00 57.07 57.47 3jrm s TYR 224 Cb -0.14 -3.68 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 3jrm s TYR 224 CO 0.07 -1.99 0.77 0.16 -1.11 0.00 0.00 175.55 173.45 3jrm s ASP 225 N -0.13 6.29 0.28 2.29 -4.77 -1.26 -4.63 116.67 114.74 3jrm s ASP 225 Ca 0.53 0.91 -0.03 0.00 -3.30 0.00 0.00 52.55 50.66 3jrm s ASP 225 Cb -0.39 -2.24 0.60 0.00 -1.09 0.00 0.00 42.92 39.80 3jrm s ASP 225 CO 0.47 -0.54 1.59 1.56 0.70 0.00 0.00 175.17 178.95 3jrm h GLN 226 N 0.35 0.03 -0.22 2.11 7.50 -1.95 -0.67 115.11 122.27 3jrm h GLN 226 Ca -0.47 -0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.57 3jrm h GLN 226 Cb 1.20 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 3jrm h GLN 226 CO 0.62 0.02 -0.32 0.93 -1.50 0.00 0.00 178.83 178.58 3jrm h GLU 227 N 0.03 0.44 -0.26 1.46 5.08 -2.00 -1.04 114.58 118.29 3jrm h GLU 227 Ca 0.52 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3jrm h GLU 227 Cb 0.98 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3jrm h GLU 227 CO -0.87 0.71 -0.14 1.49 -1.00 0.00 0.00 179.01 179.21 3jrm h GLU 228 N 0.38 0.45 -0.29 2.33 4.81 -1.52 -3.14 114.58 117.60 3jrm h GLU 228 Ca 0.05 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3jrm h GLU 228 Cb 0.75 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3jrm h GLU 228 CO 0.06 0.58 -0.38 0.28 -0.73 0.00 0.00 179.01 178.82 3jrm h VAL 229 N 0.41 1.29 -0.73 0.32 2.07 -0.90 -3.26 116.25 115.46 3jrm h VAL 229 Ca 0.08 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 66.06 3jrm h VAL 229 Cb 0.49 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3jrm h VAL 229 CO 0.03 0.50 0.48 0.11 0.02 0.00 0.00 177.57 178.71 3jrm h LYS 230 N 0.53 0.87 0.00 1.57 1.57 -1.18 -0.33 116.57 119.59 3jrm h LYS 230 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3jrm h LYS 230 Cb 0.97 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3jrm h LYS 230 CO 0.09 0.57 0.16 1.63 -0.57 0.00 0.00 179.45 181.33 3jrm n LYS 231 N -4.45 0.00 0.00 3.15 5.02 -1.22 -0.45 118.16 120.21 3jrm n LYS 231 Ca 0.09 0.28 0.05 0.00 -2.02 0.00 0.00 58.31 56.71 3jrm n LYS 231 Cb 0.11 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 3jrm n LYS 231 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3jrm n PHE 232 N -1.25 0.00 1.82 2.13 3.01 -0.13 -5.16 117.46 117.87 3jrm n PHE 232 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 3jrm n PHE 232 Cb 0.16 0.00 0.80 0.00 -0.01 0.00 0.00 39.48 40.43 3jrm n PHE 232 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05